SKF 83822 - ≥98% , CAS No.74115-08-5

CAS: 74115-08-5 Cat. No.: S648537 Formule: C₂₀H₂₂ClNO₂ Poids moléculaire: 343.85 Numéro CE: 804-119-6 PubChem CID: 10020353

QUALITÉ & PURETÉ ≥98%

Synonyms

BDBM86277 | Q27132961 | AKOS040746351 | 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | UNII-661JNG0144 | SK&F 83822 | DTXSID3043819 | 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-pro

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Vue d’ensemble

SKF 83822 is an atypical agonist of dopamine D1 receptor . SKF 83822 activates adenylyl cyclase (AC), but not phospholipase C (PLC). SKF 83822 is also proved to stimulate AC via cAMP production. SKF 83822 can be used for research of schizophrenia

In Vivo

SKF 83822 (25-100 μg/kg; s.c.; single dose after antagonist) produces a strong rotational response in rat in a dose-dependent manner. And it also stimulates strong expression of the IEG products c-Fos, Fra2, Zif/268 and Arc in the deinnervated striatum . SKF 83822 shows significant effects in a moderate and high dose with 0.25 mg/kg and 0.35 mg/kg, respectively, in monkeys. And it (0.15-0.35 mg/kg; s.c.; single dose) induces locomotion but nor inducing dyskinesia. SKF 83822 results in a state of extreme arousal and locomotor activation without stereotypy. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Adult, male Sprague-Dawley derived rats Dosage: 6.25 μg/kg, 25 μg/kg, 50 μg/kg, and 100 μg/kg; with or without 0.5 mg/kg antagonist SCH 23390. Administration: SC; single dose, 30 min after antagonist treatment. Result: Produced a strong rotational response at 50 μg/kg which was approximately midway between that produced by the 25 and 100 μg/kg doses in the first experiment. Could be inhibited by antagonist of dopamine D1 receptor, SCH 23390.

Form:Solid

IC50& Target:Rat D 1 Receptor

Spécifications

Synonymes

BDBM86277 | Q27132961 | AKOS040746351 | 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | UNII-661JNG0144 | SK&F 83822 | DTXSID3043819 | 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-pro

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

SKF 83822 is an atypical agonist of dopamine D1 receptor . SKF 83822 activates adenylyl cyclase (AC), but not phospholipase C (PLC). SKF 83822 is also proved to stimulate AC via cAMP production. SKF 83822 can be used for research of schizophrenia

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C

IUPAC Name

9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

InChIKey

HLNOXCRCYMOMLA-UHFFFAOYSA-N

INCHI

1S/C20H22ClNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3

Isomères SMILES

CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C

CAS alternatif

74115-08-5

PubChem CID

10020353

Termes d'entrée MeSH

3-allyl-6-chloro-7,8-dihydroxy-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;SKF 83822

Poids moléculaire

343.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Toluenes Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• External Descriptors: tertiary amino compound - organochlorine compound - catechols - benzazepine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

DRD1 Tclin D(1A) dopamine receptor (2 Activities)

Discover Target: DRD1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (290.82 mM; Need ultrasonic)
• Poids moléculaire: 343.800 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 343.134 Da
• Monoisotopic Mass: 343.134 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1